N-[1-(3-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Chemical Structure Depiction of
N-[1-(3-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
N-[1-(3-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
Compound characteristics
| Compound ID: | 3688-0198 |
| Compound Name: | N-[1-(3-bromophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide |
| Molecular Weight: | 456.25 |
| Molecular Formula: | C20 H14 Br N3 O5 |
| Smiles: | C(=C(/C(Nc1ccc(cc1)[N+]([O-])=O)=O)NC(c1ccco1)=O)\c1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.2557 |
| logD: | 3.9256 |
| logSw: | -4.518 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.214 |
| InChI Key: | BZWIIGLWDNTFDD-UHFFFAOYSA-N |